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At least 1,495 records · Page 83
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DOE OSTI2020

Materials Data on Pr2MgCd by Materials Project

MgPr2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Mg–Pr bond lengths are 3.37 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Pr–Cd bond lengths are 3.37 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on PrBiRh by Materials Project

PrRhBi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Rh and six equivalent Bi atoms. There are a spread of Pr–Rh bond distances ranging from 3.05–3.55 Å. There are a spread of Pr–Bi bond distances ranging from 3.32–3.43 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Bi atoms. There are a spread of Rh–Bi bond distances ranging from 2.78–2.97 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrYFe4 by Materials Project

PrYFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Pr–Y bond lengths are 3.21 Å. All Pr–Fe bond lengths are 3.07 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.07 Å. Fe is bonded to three equivalent Pr, three equivalent Y, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FePr3Y3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlPd2 by Materials Project

PrPd2Al crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Al atoms. There are a spread of Pr–Pd bond distances ranging from 3.08–3.36 Å. There are two shorter (3.18 Å) and one longer (3.22 Å) Pr–Al bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Pr and three equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.59–2.67 Å. Al is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3IrBr3 by Materials Project

Pr3IrBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Ir and four equivalent Br atoms to form a mixture of edge and corner-sharing PrIr2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. Both Pr–Ir bond lengths are 2.86 Å. There are two shorter (3.13 Å) and two longer (3.26 Å) Pr–Br bond lengths. Ir is bonded to six equivalent Pr atoms to form edge-sharing IrPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CePrAl4 by Materials Project

PrCeAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Al atoms. All Pr–Ce bond lengths are 3.47 Å. All Pr–Al bond lengths are 3.32 Å. Ce is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Ce–Al bond lengths are 3.32 Å. Al is bonded to three equivalent Pr, three equivalent Ce, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlCe3Pr3Al6 cuboctahedra. There are three shorter (2.82 Å) and three longer (2.84 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlAu by Materials Project

PrAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Pr–Au bond distances ranging from 3.14–3.46 Å. There are a spread of Pr–Al bond distances ranging from 3.23–3.44 Å. Au is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.69–2.83 Å. Al is bonded in a 4-coordinate geometry to six equivalent Pr and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pm3Pr by Materials Project

Pm3Pr is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Pr atoms to form PmPm8Pr4 cuboctahedra that share corners with twelve equivalent PmPm8Pr4 cuboctahedra, edges with eight equivalent PrPm12 cuboctahedra, edges with sixteen PmPm8Pr4 cuboctahedra, faces with four equivalent PrPm12 cuboctahedra, and faces with fourteen PmPm8Pr4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Pm–Pm bond lengths. All Pm–Pr bond lengths are 3.68 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Pr atoms to form PmPm8Pr4 cuboctahedra that share corners with four equivalent PmPm8Pr4 cuboctahedra, corners with eight equivalent PrPm12 cuboctahedra, edges with twenty-four PmPm8Pr4 cuboctahedra, faces with six equivalent PrPm12 cuboctahedra, and faces with twelve PmPm8Pr4 cuboctahedra. All Pm–Pr bond lengths are 3.67 Å. Pr is bonded to twelve Pm atoms to form PrPm12 cuboctahedra that share corners with four equivalent PrPm12 cuboctahedra, corners with eight equivalent PmPm8Pr4 cuboctahedra, edges with eight equivalent PrPm12 cuboctahedra, edges with sixteen equivalent PmPm8Pr4 cuboctahedra, faces with four equivalent PrPm12 cuboctahedra, and faces with fourteen PmPm8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPr2Ga by Materials Project

LiPr2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Li–Pr bond lengths are 3.26 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Pr–Ga bond lengths are 3.26 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlZn by Materials Project

PrZnAl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Al atoms. There are a spread of Pr–Zn bond distances ranging from 3.12–3.42 Å. There are a spread of Pr–Al bond distances ranging from 3.18–3.41 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Pr, one Zn, and three equivalent Al atoms. The Zn–Zn bond length is 2.68 Å. There are two shorter (2.68 Å) and one longer (2.96 Å) Zn–Al bond lengths. Al is bonded in a 10-coordinate geometry to six equivalent Pr, three equivalent Zn, and one Al atom. The Al–Al bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on PrCoNi by Materials Project

PrCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. All Pr–Co bond lengths are 3.02 Å. There are four shorter (3.00 Å) and two longer (3.04 Å) Pr–Ni bond lengths. Co is bonded to six equivalent Pr, two equivalent Co, and four equivalent Ni atoms to form CoPr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiPr6Co4Ni2 cuboctahedra, corners with ten equivalent CoPr6Co2Ni4 cuboctahedra, edges with six equivalent CoPr6Co2Ni4 cuboctahedra, faces with six equivalent CoPr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiPr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.55 Å. All Co–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Pr, four equivalent Co, and two equivalent Ni atoms to form NiPr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoPr6Co2Ni4 cuboctahedra, corners with ten equivalent NiPr6Co4Ni2 cuboctahedra, edges with six equivalent NiPr6Co4Ni2 cuboctahedra, faces with six equivalent NiPr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoPr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Pr by Materials Project

Tb3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with twelve equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra. There are four shorter (3.60 Å) and four longer (3.61 Å) Tb–Tb bond lengths. All Tb–Pr bond lengths are 3.60 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent TbTb8Pr4 cuboctahedra, corners with eight equivalent PrTb12 cuboctahedra, edges with twenty-four TbTb8Pr4 cuboctahedra, faces with six equivalent PrTb12 cuboctahedra, and faces with twelve TbTb8Pr4 cuboctahedra. All Tb–Pr bond lengths are 3.61 Å. Pr is bonded to twelve Tb atoms to form PrTb12 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with eight equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPr2Ir by Materials Project

LiPr2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Li–Pr bond lengths are 3.14 Å. Pr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Pr–Ir bond lengths are 3.14 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrMgSn by Materials Project

PrMgSn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg, four equivalent Pr, and four equivalent Sn atoms to form distorted MgPr4Mg4Sn4 cuboctahedra that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with four equivalent PrMg4Sn5 square pyramids, edges with eight equivalent PrMg4Sn5 square pyramids, faces with eight equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with four equivalent PrMg4Sn5 square pyramids. All Mg–Mg bond lengths are 3.22 Å. All Mg–Pr bond lengths are 3.50 Å. All Mg–Sn bond lengths are 3.13 Å. Pr is bonded to four equivalent Mg and five equivalent Sn atoms to form distorted PrMg4Sn5 square pyramids that share corners with four equivalent MgPr4Mg4Sn4 cuboctahedra, corners with eight equivalent PrMg4Sn5 square pyramids, edges with eight equivalent MgPr4Mg4Sn4 cuboctahedra, edges with four equivalent PrMg4Sn5 square pyramids, faces with four equivalent MgPr4Mg4Sn4 cuboctahedra, and faces with five equivalent PrMg4Sn5 square pyramids. There are four shorter (3.25 Å) and one longer (3.33 Å) Pr–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiBi by Materials Project

PrNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Pr–Ni bond lengths are 2.88 Å. All Pr–Bi bond lengths are 3.33 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.88 Å. Bi is bonded in a distorted q6 geometry to six equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2ZnIn by Materials Project

Pr2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Pr–Zn bond lengths are 3.49 Å. All Pr–In bond lengths are 3.49 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPr2Al by Materials Project

LiPr2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Li–Pr bond lengths are 3.28 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Pr–Al bond lengths are 3.28 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3PBr3 by Materials Project

Pr3PBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent P and four equivalent Br atoms to form a mixture of edge and corner-sharing PrP2Br4 octahedra. The corner-sharing octahedra tilt angles range from 4–8°. Both Pr–P bond lengths are 2.84 Å. There are two shorter (3.09 Å) and two longer (3.16 Å) Pr–Br bond lengths. P is bonded to six equivalent Pr atoms to form edge-sharing PPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

36 MATERIALS SCIENCE↗